Structure and bonding in WCn (n = 2–5) clusters

Stochastic explorations of the configurational spaces for WC n (n = 2–5) clusters lead to densely populated spin states at each molecularity. We found 8, 16, 42, and 68 well-defined minima for n = 2, 3, 4, 5, respectively, in spin states ranging from singlets to quintuplets. The lowest energy isomer...

Full description

Autores:
Tipo de recurso:
Fecha de publicación:
2016
Institución:
Universidad de Medellín
Repositorio:
Repositorio UDEM
Idioma:
eng
OAI Identifier:
oai:repository.udem.edu.co:11407/2871
Acceso en línea:
http://hdl.handle.net/11407/2871
Palabra clave:
Carbon content increase
Nature of W–C bonding
Potential energy surfaces
Spin–orbit effects
Stochastic explorations
Tungsten–carbon clusters
Rights
restrictedAccess
License
http://purl.org/coar/access_right/c_16ec